BMRBj - BMREntryMaster

Found 1 Document (1.295 seconds)

BMRB: 7123

2KGH

1H Chemical shifts assignment of BR2, a toxin extracted from the venom of thespider Brachypelma runahui

Authors

BERNARD, C., DARBON, H., CORZO, G., POSSANI, L.D., ALAGON, A.C.

Assembly

BR2

Entity

1. BR2 (polymer, Thiol state: all disulfide bound), 39 monomers, 4446.456 Da Detail

IFECVFSCDI KKEGKPCKPK GEKKCTGGWR CKIKLCLKI

Formula weight

4446.456 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS17:SG
2	disulfide	sing	1:CYS8:SG	1:CYS31:SG
3	disulfide	sing	1:CYS25:SG	1:CYS36:SG

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.0 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	89.0 % (235 of 264)	89.0 % (235 of 264)
Backbone	98.8 % (79 of 80)	98.8 % (79 of 80)
Sidechain	84.8 % (156 of 184)	84.8 % (156 of 184)
Aromatic	75.0 % (12 of 16)	75.0 % (12 of 16)
Methyl	60.0 % (9 of 15)	60.0 % (9 of 15)

1. BR2

IFECVFSCDI KKEGKPCKPK GEKKCTGGWR CKIKLCLKI

Show sample condition

Sample

Temperature 300 (±0.1) K, pH 3.5

#	Name	Isotope labeling	Type	Concentration
1	BR2			1 mM

Release date

2007-11-20

Citation

1H chemical shifts assignment of BR2, a toxin isolated from the venom of the spider Brachypelma runahui
BERNARD, C., DARBON, H., CORZO, G., POSSANI, L.D., ALAGON, A.C.

Related entities 1. BR2, : 1 : 1 : 2 : 1 : 18 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr7123_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:4:CYS:SG	1:17:CYS:SG	unknown	unknown	n/a
1:8:CYS:SG	1:31:CYS:SG	unknown	unknown	n/a
1:25:CYS:SG	1:36:CYS:SG	unknown	unknown	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr7123_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	251		100.0 (chain: 1, length: 39)
1	Chemical shift references	chemical_shift_referencing	OK	1		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 39, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 251
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

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Found 1 Document (1.295 seconds)

BMRB: 7123

Sample

Related entities 1. BR2, : 1 : 1 : 2 : 1 : 18 entities Detail

Experiments performed 3 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail